Pyridafol

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  • Identifiers

    CAS number
    40020-01-7

    Molecular formula
    C10H7ClN2O

    SMILES
    C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl

    Safety labels

  • Odor profile

    Fragrance
    Odorless 39.58%
    Fruity 37.43%
    Burnt 33.86%
    Bitter 29.51%
    Roasted 27.22%
    Cooked 26.16%
    Grape 23.69%
    Nutty 22.34%
    Musty 22.17%
    Animal 21.69%

     

    Flavor
    Bitter 86.1%
    Odorless 25.45%
    Nitrile 22.03%
    Very strong 21.99%
    Indole 21.46%
    Moth ball 21.06%
    Naphthelene 20.72%
    Bread crust 20.62%
    Cedarleaf 19.98%
    Roasted peanuts 19.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.79 (neutral)

    Molecular weight
    206.63 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    361°C

    Flash point

    • 193.95 ˚C est.

  • Synonyms

    • Pyridafol
    • 6-Chloro-3-phenylpyridazin-4-ol
    • 40020-01-7
    • CL 9673
    • 3-phenyl-4-hydroxy-6-chloropyridazine
    • 09L470QH6I
    • NOA-402989
    • CL-9673
    • DTXSID3058086
    • RefChem:177550
    • DTXCID9031854
    • 254-752-1
    • CL9673
    • Pyridate metabolite
    • Pyridafol [ISO]
    • 6-chloro-3-phenyl-1H-pyridazin-4-one
    • MFCD00143498
    • 6-chloro-3-phenyl-pyridazin-4-ol
    • 6-Chloro-4-hydroxy-3-phenyl-pyridazine
    • CL 9673; NOA 402989
    • 6-Chloro-4-hydroxy-3-phenyl-pyridazine 100 microg/mL in Acetonitrile
    • UNII-09L470QH6I
    • EINECS 254-752-1
    • Pyridate hydroxy type
    • Pyridafol (CL-9673)
    • Pyridafol, analytical standard
    • SCHEMBL125883
    • SCHEMBL261340
    • SCHEMBL29474423
    • 6-chloro-3-phenyl-4-pyridazinol
    • ZUSHSDOEVHPTCU-UHFFFAOYSA-N
    • MSK22164
    • 4-Pyridazinol, 6-chloro-3-phenyl-
    • 3-chloro-5-hydroxy-6-phenylpyridazine
    • 6-Chloro-4-hydroxy-3-phenyl-pyridazin
    • 6-Chloro-4-hydroxy-3-phenylpyridazine
    • DA-18091
    • NS00007024
    • Q22808826
    • 40020-01-7

  • Applications

    Pyridafol is primarily used as an intermediate in organic synthesis, serving as a building block for various specialty chemicals in industrial manufacturing, including pharmaceutical and agrochemical development. It may function as a co-solvent or processing aid in formulations for coatings, inks, and adhesives, aiding solubility and processing. In polymer and plastics formulations, it can act as a stabilizer or chelating agent to improve formulation stability and metal compatibility. It is also evaluated for use in cleaning formulations and other specialty blends where its pyridinyl functionality can participate in reactions or complexation. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.87
    methanol 24.48
    isopropanol 16.94
    water 0.05
    ethyl acetate 45.07
    n-propanol 21.76
    acetone 115.4
    n-butanol 17.73
    acetonitrile 30.22
    DMF 398.65
    toluene 10.03
    isobutanol 15.0
    1,4-dioxane 39.7
    methyl acetate 55.3
    THF 173.51
    2-butanone 98.36
    n-pentanol 19.25
    sec-butanol 15.21
    n-hexane 0.18
    ethylene glycol 17.43
    NMP 203.46
    cyclohexane 0.13
    DMSO 342.49
    n-butyl acetate 33.16
    n-octanol 5.59
    chloroform 22.03
    n-propyl acetate 35.88
    acetic acid 42.95
    dichloromethane 31.48
    cyclohexanone 85.8
    propylene glycol 18.71
    isopropyl acetate 26.96
    DMAc 279.0
    2-ethoxyethanol 55.25
    isopentanol 19.49
    n-heptane 0.59
    ethyl formate 35.54
    1,2-dichloroethane 43.13
    n-hexanol 17.1
    2-methoxyethanol 99.62
    isobutyl acetate 21.04
    tetrachloromethane 2.05
    n-pentyl acetate 19.3
    transcutol 193.38
    n-heptanol 9.24
    ethylbenzene 7.08
    MIBK 33.7
    2-propoxyethanol 51.83
    tert-butanol 23.14
    MTBE 15.5
    2-butoxyethanol 31.22
    propionic acid 28.21
    o-xylene 7.74
    formic acid 23.87
    diethyl ether 12.94
    m-xylene 8.78
    p-xylene 9.61
    chlorobenzene 18.46
    dimethyl carbonate 42.34
    n-octane 0.19
    formamide 59.99
    cyclopentanone 157.67
    2-pentanone 64.86
    anisole 29.37
    cyclopentyl methyl ether 38.71
    gamma-butyrolactone 145.52
    1-methoxy-2-propanol 71.52
    pyridine 67.09
    3-pentanone 46.1
    furfural 130.42
    n-dodecane 0.32
    diethylene glycol 60.15
    diisopropyl ether 4.32
    tert-amyl alcohol 19.41
    acetylacetone 87.98
    n-hexadecane 0.37
    acetophenone 40.49
    methyl propionate 56.09
    isopentyl acetate 28.73
    trichloroethylene 106.74
    n-nonanol 6.34
    cyclohexanol 14.47
    benzyl alcohol 32.67
    2-ethylhexanol 12.37
    isooctanol 8.71
    dipropyl ether 14.52
    1,2-dichlorobenzene 18.46
    ethyl lactate 28.83
    propylene carbonate 65.67
    n-methylformamide 97.75
    2-pentanol 11.35
    n-pentane 0.14
    1-propoxy-2-propanol 39.1
    1-methoxy-2-propyl acetate 49.58
    2-(2-methoxypropoxy) propanol 39.47
    mesitylene 5.07
    ε-caprolactone 69.26
    p-cymene 7.47
    epichlorohydrin 168.33
    1,1,1-trichloroethane 21.31
    2-aminoethanol 25.74
    morpholine-4-carbaldehyde 132.42
    sulfolane 186.52
    2,2,4-trimethylpentane 0.48
    2-methyltetrahydrofuran 67.82
    n-hexyl acetate 20.44
    isooctane 0.4
    2-(2-butoxyethoxy)ethanol 50.31
    sec-butyl acetate 22.49
    tert-butyl acetate 29.64
    decalin 0.58
    glycerin 38.93
    diglyme 97.64
    acrylic acid 35.93
    isopropyl myristate 9.59
    n-butyric acid 35.39
    acetyl acetate 30.35
    di(2-ethylhexyl) phthalate 14.52
    ethyl propionate 33.46
    nitromethane 129.24
    1,2-diethoxyethane 34.83
    benzonitrile 35.07
    trioctyl phosphate 9.96
    1-bromopropane 11.44
    gamma-valerolactone 169.66
    n-decanol 5.32
    triethyl phosphate 17.63
    4-methyl-2-pentanol 9.89
    propionitrile 26.37
    vinylene carbonate 56.91
    1,1,2-trichlorotrifluoroethane 104.19
    DMS 33.59
    cumene 5.85
    2-octanol 5.48
    2-hexanone 43.41
    octyl acetate 13.34
    limonene 9.82
    1,2-dimethoxyethane 86.68
    ethyl orthosilicate 14.82
    tributyl phosphate 12.55
    diacetone alcohol 52.87
    N,N-dimethylaniline 22.52
    acrylonitrile 47.81
    aniline 26.78
    1,3-propanediol 33.75
    bromobenzene 14.54
    dibromomethane 14.39
    1,1,2,2-tetrachloroethane 67.71
    2-methyl-cyclohexyl acetate 22.98
    tetrabutyl urea 19.55
    diisobutyl methanol 8.37
    2-phenylethanol 28.38
    styrene 8.87
    dioctyl adipate 18.99
    dimethyl sulfate 88.22
    ethyl butyrate 28.51
    methyl lactate 45.4
    butyl lactate 24.31
    diethyl carbonate 20.73
    propanediol butyl ether 31.55
    triethyl orthoformate 19.89
    p-tert-butyltoluene 6.91
    methyl 4-tert-butylbenzoate 30.73
    morpholine 66.77
    tert-butylamine 9.37
    n-dodecanol 4.25
    dimethoxymethane 116.92
    ethylene carbonate 41.42
    cyrene 50.85
    2-ethoxyethyl acetate 34.92
    2-ethylhexyl acetate 21.52
    1,2,4-trichlorobenzene 28.35
    4-methylpyridine 64.48
    dibutyl ether 8.43
    2,6-dimethyl-4-heptanol 8.37
    DEF 72.49
    dimethyl isosorbide 66.83
    tetrachloroethylene 31.92
    eugenol 35.15
    triacetin 32.55
    span 80 26.94
    1,4-butanediol 16.04
    1,1-dichloroethane 24.37
    2-methyl-1-pentanol 20.01
    methyl formate 80.93
    2-methyl-1-butanol 16.8
    n-decane 0.38
    butyronitrile 26.76
    3,7-dimethyl-1-octanol 8.93
    1-chlorooctane 2.96
    1-chlorotetradecane 1.64
    n-nonane 0.28
    undecane 0.36
    tert-butylcyclohexane 0.73
    cyclooctane 0.08
    cyclopentanol 26.02
    tetrahydropyran 30.04
    tert-amyl methyl ether 15.75
    2,5,8-trioxanonane 67.45
    1-hexene 2.48
    2-isopropoxyethanol 36.53
    2,2,2-trifluoroethanol 24.36
    methyl butyrate 45.56

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction